[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propyl-(pyridin-3-ylmethyl)azanium Openeye Name: [1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl-propyl-(3-pyridylmethyl)ammonium CAS Name: [1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-propyl-(3-pyridinylmethyl)ammonium IUPAC Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propyl-(pyridin-3-ylmethyl)azanium Traditional Name: [1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl-propyl-(3-pyridylmethyl)ammonium Formula: C23H35N3+2 MolecularWeight: 353.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2C)CC3=CN=CC=C3

Isomeric SMILES

CCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2C)CC3=CN=CC=C3

InChI

InChI=1S/C23H33N3/c1-3-13-26(18-22-8-6-12-24-16-22)17-21-10-14-25(15-11-21)19-23-9-5-4-7-20(23)2/h4-9,12,16,21H,3,10-11,13-15,17-19H2,1-2H3/p+2